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133357-62-7 | Benzoic acid, 3-(bromomethyl)-5-methoxy-, methyl ester
CAS No: 133357-62-7 Catalog No: AG0014QN MDL No:MFCD03265289
Product Description
Catalog Number:
AG0014QN
Chemical Name:
Benzoic acid, 3-(bromomethyl)-5-methoxy-, methyl ester
CAS Number:
133357-62-7
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD03265289
IUPAC Name:
methyl 3-(bromomethyl)-5-methoxybenzoate
InChI:
InChI=1S/C10H11BrO3/c1-13-9-4-7(6-11)3-8(5-9)10(12)14-2/h3-5H,6H2,1-2H3
InChI Key:
SZSHGWWDWSLOQS-UHFFFAOYSA-N
SMILES:
BrCc1cc(OC)cc(c1)C(=O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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